[1]王莉婷,王成祥,徐广,等.基于网络药理学和分子对接方法探讨红曲茯苓片防治血脂异常的作用机制[J].西部中医药,2025,38(10):72-80.[doi:10.12174/j.issn.2096-9600.2025.10.13]
　WANG Liting,WANG Chengxiang,XU Guang,et al.Hongqu Fuling Tablets in the Treatment of Dyslipidemia Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2025,38(10):72-80.[doi:10.12174/j.issn.2096-9600.2025.10.13]
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基于网络药理学和分子对接方法探讨红曲茯苓片防治血脂异常的作用机制()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年10期
页码:
72-80
栏目:
二次研究
出版日期:
2025-10-15

文章信息/Info

Title:
Hongqu Fuling Tablets in the Treatment of Dyslipidemia Based on Network Pharmacology and Molecular Docking
作者:
王莉婷, 王成祥, 徐广, 方杰, 石文筠, 郭宇瑛, 秦铭, 李颜伶, 马群
北京中医药大学，北京 102488
Author(s):
WANG Liting, WANG Chengxiang, XU Guang, FANG Jie, SHI Wenjun, GUO Yuying, QIN Ming, LI Yanling, MA Qun
Beijing University of Chinese Medicine, Beijing 102488, China
关键词:
血脂异常; 红曲茯苓片; 作用机制; 网络药理学; 分子对接
Keywords:
dyslipidemia; Hongqu Fuling tablets; mechanism; network pharmacology; molecular docking
分类号:
R259
DOI:
10.12174/j.issn.2096-9600.2025.10.13
文献标志码:
A
摘要:
目的利用网络药理学和分子对接技术探讨红曲茯苓片防治血脂异常的物质基础及作用机制。 方法通过中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）、BATMAN数据库、中国知网等数据库收集红曲茯苓片活性成分，并筛选活性成分；利用SwissTargetPrediction平台预测活性成分的潜在作用靶点；通过人类基因数据库（the human gene database，GeneCards）、在线人类孟德尔遗传数据库（online mendelian inheritance in man，OMIM）、药物靶标数据库（therapeutic targetdatabase，TTD）、DrugBank数据库、DisGeNET数据库收集血脂异常相关靶点；利用STRING平台对蛋白质相互作用进行分析，借助Cytoscape 3.8.0软件构建红曲茯苓片功效作用网络，筛选红曲茯苓片核心成分及核心作用靶点；通过Metascape平台对潜在靶点进行基因本体论（gene ontology，GO）及京都基因与基因组百科全书（kyoto encyclopedia of genes and genomes，KEGG）富集分析；采用Autodock Vina软件进行分子对接验证。 结果共筛选得到红曲茯苓片中药活性成分144个，活性成分作用靶点126个，血脂异常相关靶点2273个，共同靶点383个；主要活性成分包括Monankarin A、Ergotamine等，核心靶点包括MAPK14、AR、MAPK1、EGFR、GSK3B等；涉及通路包括AGE-RAGE、甲状腺激素、ErbB、趋化因子、HIF-1、VEGF等；分子对接显示靶蛋白与主要活性成分结合良好。 结论红曲茯苓片通过多成分、多靶点、多通路防治血脂异常。
Abstract:
Objective: To discuss the material basis and the mechanism of Hongqu Fuling tablets in the prevention and treatment of dyslipidemia based on network pharmacology and molecular docking. MethodsWe retrieved and screened the active ingredients of the tablets from TCM, BATMAN-TCM, and CNKI databases; predicted the potential targets for the active ingredients using SwissTargetPrediction; we collected the targets related to dyslipidemia from GeneCards, OMIM, and TTD, DrugBank and DisGeNET databases; analyzed the protein-protein interaction using STRING platform, constructed network of efficacy and action of the tablets, screened the core ingredients and core targets of the medicine via Cytoscape 3.8.0 software; GO and KEGG enrichment analysis of the potential targets were conducted via Metascape platform; Autodock Vina software was applied to validate molecular docking. ResultsAll 144 active ingredients of the tablets were obtained, involving 126 targets of active ingredients, 2273 dyslipidemia-related targets and 383 common targets; the main active ingredients contained Monankarin A, Ergotamine and others, the core targets covered MAPK14, AR, MAPK1, EGFR, GSK3B and others; the pathways included AGE-RAGE, thyroid hormone, ErbB, chemokines, HIF-1 and VEGF; molecular docking displayed that target protein could form strong bonds with the main active ingredients. ConclusionHongqu Fuling tablets could prevent and treat dyslipidemia via multi-ingredient, multi-target and multi-pathway.

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[1]高 晨,李 劼.祛痰化瘀胶囊治疗血脂异常临床观察[J].西部中医药,2014,27(11):99.
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备注/Memo

备注/Memo:
王莉婷（1995—），女，硕士学位，助理工程师。研究方向：药物质量控制。国家重点研发计划中医药现代化研究重点专项（2018YFC1706800）。
更新日期/Last Update: 2025-10-15